N-(3-acetylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide

C20H20Cl2N2O4S — CID 2981126

IUPACN-(3-acetylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)c1
InChIInChI=1S/C20H20Cl2N2O4S/c1-13(25)14-4-2-6-17(10-14)23-20(26)15-5-3-9-24(12-15)29(27,28)19-11-16(21)7-8-18(19)22/h2,4,6-8,10-11,15H,3,5,9,12H2,1H3,(H,23,26)
InChIKeyFIVIJKPZGNMZIG-UHFFFAOYSA-N
MW455.36 g/mol
LogP4.24
Rot. Bonds5

About N-(3-acetylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide

N-(3-acetylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 2981126) has the molecular formula C20H20Cl2N2O4S and a molecular weight of 455.36 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
PubChem CID2981126
Molecular FormulaC20H20Cl2N2O4S
Molecular Weight455.36 g/mol
Exact Mass454.05
IUPAC NameN-(3-acetylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)c1
InChIInChI=1S/C20H20Cl2N2O4S/c1-13(25)14-4-2-6-17(10-14)23-20(26)15-5-3-9-24(12-15)29(27,28)19-11-16(21)7-8-18(19)22/h2,4,6-8,10-11,15H,3,5,9,12H2,1H3,(H,23,26)
InChIKeyFIVIJKPZGNMZIG-UHFFFAOYSA-N
XLogP4.24
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(4-acetamidophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 126398447
(3R)-N-(3-chloro-4-methylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 126396495
(3S)-1-(2,5-dichlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 126395837
N-(3-acetamidophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 26114411
(3S)-1-(2,5-dichlorophenyl)sulfonyl-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 126397151
(3R)-N-(3-acetylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641632
(3R)-N-tert-butyl-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 126396308
1-(2,5-dichlorophenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 2992639
(3S)-N-(3-acetylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302815
1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 2971952
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-3-carboxamide
CID 2986070
1-(2,5-dichlorophenyl)sulfonyl-N-[3-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 39131366

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide (CID 2981126) is N-(3-acetylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide is CC(=O)c1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is FIVIJKPZGNMZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O4S/c1-13(25)14-4-2-6-17(10-14)23-20(26)15-5-3-9-24(12-15)29(27,28)19-11-16(21)7-8-18(19)22/h2,4,6-8,10-11,15H,3,5,9,12H2,1H3,(H,23,26).
What are the key properties of N-(3-acetylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide?
N-(3-acetylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 455.36 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 2981126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).